scholarly journals Crystal structure of bis[1-(4-bromobenzyl)pyridinium] bis(1,2-dicyanoethene-1,2-dithiolato-κ2S,S′)nickelate(II)

2014 ◽  
Vol 70 (12) ◽  
pp. m395-m396
Author(s):  
Dong Zeng ◽  
Shui-Bin Yang ◽  
Zheng-Fang Tian
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Asymmetric Unit ◽  
Coordination Environment ◽  
Pyridinium Cation ◽  
Square Planar ◽  
Benzene Rings

The asymmetric unit of the title salt, (C12H11BrN)2[Ni(C4N2S2)2], consists of one 1-(4-bromobenzyl)pyridinium cation and one half of a complex [Ni(mnt)2]2−(mnt2−is the maleonitriledithiolate dianion). The Ni2+ion is located on an inversion centre and is coordinated by four S atoms from two mnt2−ligands, exhibiting a square-planar coordination environment. In the cation, the planes of the pyridinium and benzene rings make a dihedral angle of 69.86 (19)°. The cations and anions are alternately arranged in layers parallel to (001) and are held together by non-classical C—H...N hydrogen bonds.

scholarly journals Crystal structure of bis{2-[(E)-(4-fluorobenzyl)iminomethyl]phenolato-κ2N,O}nickel(II)

2014 ◽  
Vol 70 (10) ◽  
pp. 252-255 ◽  
Author(s):  
Amalina Mohd Tajuddin ◽  
Hadariah Bahron ◽  
Rohazila Mohammad Hanafiah ◽  
Nazlina Ibrahim ◽  
Hoong-Kun Fun ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Schiff Base ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Complex ◽  
Asymmetric Unit ◽  
Schiff Base Ligands ◽  
Coordination Environment ◽  
Square Planar ◽  
Coordination Plane

The asymmetric unit of the title complex, [Ni(C14H11FNO)2], contains one-half of the molecule with the NiIIcation lying on an inversion centre coordinated by a bidentate Schiff base anion. The cationic NiIIcenter is in a distorted square-planar coordination environment chelated by the imine N and phenolate O donor atoms of the two Schiff base ligands. The N and O donor atoms of the two ligands are mutuallytranswith Ni—N and Ni—O bond lengths of 1.9242 (10) and 1.8336 (9) Å, respectively. The fluorophenyl ring is almost orthogonal to the coordination plane and makes a dihedral angle of 82.98 (7)° with the phenolate ring. In the crystal, molecules are linked into screw chains by weak C—H...F hydrogen bonds. Additional C—H...π contacts arrange the molecules into sheets parallel to theacplane.

scholarly journals Crystal structure of bis{2-[(E)-(4-methoxylbenzyl)iminomethyl]phenolato-κ2N,O1}nickel(II)

2014 ◽  
Vol 70 (8) ◽  
pp. 104-106 ◽  
Author(s):  
Hadariah Bahron ◽  
Amalina Mohd Tajuddin ◽  
Wan Nazihah Wan Ibrahim ◽  
Hoong-Kun Fun ◽  
Suchada Chantrapromma
Keyword(s):  
Crystal Structure ◽  
Schiff Base ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Bidentate Ligand ◽  
Asymmetric Unit ◽  
Schiff Base Ligands ◽  
Coordination Environment ◽  
Square Planar

The asymmetric unit of the title compound, [Ni(C15H14NO2)2], comprises an NiIIcation, lying on an inversion centre, and a Schiff base anion that acts as a bidentate ligand. The NiIIcation is in a square-planar coordination environment binding to the imine N and phenolate O atoms of the two Schiff base ligands. The N- and O-donor atoms of the two ligands are mutuallytrans, with Ni—N and Ni—O bond lengths of 1.9191 (11) and 1.8407 (9) Å, respectively. The plane of the methoxybenzene ring makes a dihedral angle of 84.92 (6)° with that of the phenolate ring. In the crystal, molecules are linked into screw chains by weak C—H...O hydrogen bonds. Additional C—H...O hydrogen bonds, together with C—H...π contacts, arrange the molecules into sheets parallel to theacplane.

scholarly journals Crystal structure of bis(2-{1-[(E)-(4-fluorobenzyl)imino]ethyl}phenolato-κ2N,O)palladium(II)

2015 ◽  
Vol 71 (4) ◽  
pp. 350-353
Author(s):  
Amalina Mohd Tajuddin ◽  
Hadariah Bahron ◽  
Hamizah Mohd Zaki ◽  
Karimah Kassim ◽  
Suchada Chantrapromma
Keyword(s):  
Crystal Structure ◽  
Schiff Base ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Complex ◽  
Asymmetric Unit ◽  
Schiff Base Ligands ◽  
Bond Lengths ◽  
Square Planar ◽  
Coordination Plane

The asymmetric unit of the title complex, [Pd(C15H13FNO)2], contains one half of the molecule with the PdIIcation lying on an inversion centre and is coordinated by the bidentate Schiff base anion. The geometry around the cationic PdIIcentre is distorted square planar, chelated by the imine N- and phenolate O-donor atoms of the two Schiff base ligands. The N- and O-donor atoms of the two ligands are mutuallytrans, with Pd—N and Pd—O bond lengths of 2.028 (2) and 1.9770 (18) Å, respectively. The fluorophenyl ring is tilted away from the coordination plane and makes a dihedral angle of 66.2 (2)° with the phenolate ring. In the crystal, molecules are linked into chains along the [101] direction by weak C—H...O hydrogen bonds. Weak π–π interactions with centroid–centroid distances of 4.079 (2) Å stack the molecules alongc.

scholarly journals Crystal structure of chlorido(piperidine-κN)(quinoline-2-carboxylato-κ2N,O)platinum(II)

2014 ◽  
Vol 70 (7) ◽  
pp. 36-38 ◽  
Author(s):  
Chi Nguyen Thi Thanh ◽  
Ngan Nguyen Bich ◽  
Luc Van Meervelt
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Chloride Anion ◽  
Asymmetric Unit ◽  
Coordination Environment ◽  
Square Planar

The title compound, [Pt(C10H6NO2)Cl(C5H11N)], crystallizes with one molecule in the asymmetric unit. The PtIIcation has a slightly distorted square-planar coordination environment defined by a chloride anion, the quinoline N atom and a carboxylate O atom of the bidentate quinaldate ligand and a piperidine N atom. An intramolecular C—H...Cl hydrogen bond occurs. In the crystal, molecules are stacked into columns along thecaxis by the formation of N—H...Cl and C—H...O hydrogen bonds.

scholarly journals Crystal structure of 4,10-dimethoxy-13-methyl-6H,12H-6,12-epiminodibenzo[b,f][1,5]dioxocine

2017 ◽  
Vol 73 (3) ◽  
pp. 410-412
Author(s):  
Katerina V. Kasyanova ◽  
Vladimir N. Kokozay ◽  
Elena A. Buvaylo ◽  
Olga Yu. Vassilyeva ◽  
Brian W. Skelton
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Boat Conformation ◽  
Asymmetric Unit ◽  
Compound C ◽  
Benzene Rings ◽  
Crystallographic Symmetry ◽  
Twisted Boat

The title compound, C17H17NO4, lacks crystallographic symmetry with one molecule per asymmetric unit. The molecule exists in a folded butterfly-like conformation; the benzene rings form a dihedral angle of 84.72 (7)°. The central eight-membered imino-bridged dioxocin ring adopts a twisted-boat conformation. In the crystal, inversion-related molecules are linked by pairs of weak C—H...O hydrogen bonds, forming double-stranded chains parallel to theaaxis.

scholarly journals Crystal structure of 3-[(E)-(2-hydroxy-3-methoxybenzylidene)amino]-1-methyl-1-phenylthiourea

2016 ◽  
Vol 72 (5) ◽  
pp. 608-611
Author(s):  
Rajeswari Gangadharan ◽  
Mathiyan Muralisankar ◽  
Anandaram Sreekanth ◽  
Abdullakutty Anees Rahman ◽  
K. Sethusankar
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules

In the asymmetric unit of the title compound, C16H17N3O2S, there are two independent molecules (AandB), which show anEconformation with respect to the C=N bond. An intramolecular O—H...N hydrogen bond with anS(6) motif stabilizes the molecular structure. The terminal phenyl and benzene rings are almost orthogonal to each other, the dihedral angle being 87.47 (13)° for moleculeAand 89.86 (17)° for moleculeB. In the crystal, weak bifurcated N—H...(O,O) hydrogen bonds link the two independent molecules, forming a supramolecular chain with aC21(14)[R21(5)] motif along thebaxis. A weak C—H...O interaction is also observed in the chain.

scholarly journals Crystal structure of (E)-1-(4′-methoxy-[1,1′-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one

2015 ◽  
Vol 71 (1) ◽  
pp. 1-3 ◽  
Author(s):  
T. Vidhyasagar ◽  
K. Rajeswari ◽  
D. Shanthi ◽  
M. Kayalvizhi ◽  
G. Vasuki ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Phenyl Ring ◽  
Methoxy Group ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules

The title compound, C22H17NO4, crystallizes with two independent molecules (AandB) in the asymmetric unit. Each molecule exists as anEisomer with C—C=C—C torsion angles of −175.69 (17) and −178.41 (17)° inAandB, respectively. In moleculeA, the planes of the terminal benzene rings are twisted by an angle of 26.67 (10)°, while the biphenyl unit is non-planar, the dihedral angle between the rings being 30.81 (10)°. The dihedral angle between the nitrophenyl ring and the inner phenyl ring is 6.50 (9)°. The corresponding values in moleculeBare 60.61 (9), 31.07 (8) and 31.05 (9)°. In the crystal, molecules are arranged in a head-to-head manner, with the 3-nitrophenyl groups nearly parallel to one another. TheAandBmolecules are linked to one anotherviaC—H...O hydrogen bonds, forming chains lying parallel to (-320) and enclosingR22(10) andR22(12) ring motifs. The methoxy group in both molecules is positionally disordered with a refined occupancy ratio of 0.979 (4):0.021 (4) for moleculeAand 0.55 (4):0.45 (4) for moleculeB.

scholarly journals Crystal structure of (μ-N,N′-dibenzyldithiooxamidato-κN,S:N′,S′)bis[(η3-crotyl)palladium(II)]

2015 ◽  
Vol 71 (2) ◽  
pp. m40-m41 ◽  
Author(s):  
Giuseppe Bruno ◽  
Santo Lanza ◽  
Antonino Giannetto ◽  
Alessandro Sacca ◽  
Hadi Amiri Rudbari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Metal Complex ◽  
Dihedral Angle ◽  
Title Compound ◽  
Steric Interaction ◽  
Coordination Environment ◽  
Hydrogen Bonding Interactions ◽  
Square Planar ◽  
Benzene Rings

In the centrosymmetric dinuclear title compound, [Pd2(C4H7)2(C16H14N2S2)], the metal atom is η3-coordinated by three C atoms of a crotyl ligand [Pd—C = 2.147 (4), 2.079 (5) and 2.098 (5) Å], the longest distance influenced by the steric interaction with the benzyl substituents of the dibenzyldithiooximidate (DTO) ligand. The Pd—N and Pd—S bonds to this ligand are 2.080 (3) and 2.3148 (9) Å, respectively, completing a square-planar coordination environment for PdII. The benzyl groups are oriented so as to maximize the interaction between a benzylic H atom and an S atom, resulting in a dihedral angle of 77.1 (2)° between the benzene rings and the metal complex plane. In the crystal, no inter-complex hydrogen-bonding interactions are present.

scholarly journals 3,5-Dimethyl-1-(4-nitrobenzyl)pyridinium bis(benzene-1,2-dithiolato-κ2S,S′)nickelate(III)

2012 ◽  
Vol 68 (4) ◽  
pp. m407-m407
Author(s):  
Guang-Xiang Liu
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Planar Geometry ◽  
Asymmetric Unit ◽  
Compound C ◽  
Square Planar ◽  
Benzene Rings ◽  
Anions And Cations

The asymmetric unit of the title compound, (C14H15N2O2)[Ni(C6H4S2)2], contains one cation and two halves of two centrosymmetric crystallographically independent anions. In the anions, the NiIIIatoms are coordinated by four S atoms in a distorted square-planar geometry. In the cation, the dihedral angle between the pyridine and benzene rings is 88.66 (17)°. In the crystal, anions and cations interact through C—H...S and C—H...O hydrogen bonds.

scholarly journals Crystal structures of threeN-(arylsulfonyl)-4-fluorobenzamides

2016 ◽  
Vol 72 (4) ◽  
pp. 575-582 ◽  
Author(s):  
P. A. Suchetan ◽  
S. Naveen ◽  
N. K. Lokanath ◽  
K. S. Srivishnu ◽  
G. M. Supriya ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Crystal Structures ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Solvent Water ◽  
Benzene Rings ◽  
Independent Molecules

The crystal structures of threeN-arylsulfonyl-4-fluorobenzamides, namely 4-fluoro-N-(2-methylphenylsulfonyl)benzamide, C14H12FNO3S, (I),N-(2-chlorophenylsulfonyl)-4-fluorobenzamide, C13H9ClFNO3S, (II), andN-(4-chlorophenylsulfonyl)-4-fluorobenzamide monohydrate, C13H9ClFNO3S·H2O, (III), are described and compared with related structures. The asymmetric unit of (I) contains two independent molecules (AandB), while that of (II) contains just one molecule, and that of (III) contains a molecule of water in addition to one main molecule. The dihedral angle between the benzene rings is 82.83 (11)° in moleculeAand 85.01 (10)° in moleculeBof (I), compared to 89.91 (10)° in (II) and 81.82 (11)° in (III). The crystal structure of (I) features strong N—H...O hydrogen bonds between theAandBmolecules, resulting in anR44(16) tetrameric unit. These tetrameric units are connected into sheets in thebcplane by various C—H...O interactions, and adjacent sheets are further interlinkedviaC—H...πarylinteractions, forming a three-dimensional architecture. The crystal structure is further stabilized by πaryl–πaryland S=O...πarylinteractions. In the crystal of (II), molecules are connected intoR22(8) andR22(14) dimersviaN—H...O hydrogen bonds and C—H...O interactions, respectively; the dimers are further interconnectedviaa weak C=O...πarylinteraction, leading to the formation of chains along [1-10]. In the crystal of (III), N—H...O and O—H...O hydrogen bonds involving both the main molecule and the solvent water molecule results in the formation of sheets parallel to thebcplane. The sheets are further connected by C—H...O interactions and weak C—Cl...πaryl, C—F...πaryland S=O...πarylinteractions, forming a three-dimensional architecture.

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